N-(2-adamantyl)-N-[3-(2-bromanyl-1-benzofuran-3-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate

Systemtic Name: N-(2-adamantyl)-N-[3-(2-bromanyl-1-benzofuran-3-yl)-2-methyl-1-oxidanylidene-1-(phenethylamino)propan-2-yl]carbamate Openeye Name: N-(2-adamantyl)-N-[1-[(2-bromobenzofuran-3-yl)methyl]-1-methyl-2-oxo-2-(phenethylamino)ethyl]carbamate CAS Name: N-(2-adamantyl)-N-[3-(2-bromo-3-benzofuranyl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamate IUPAC Name: N-(2-adamantyl)-N-[3-(2-bromo-1-benzofuran-3-yl)-2-methyl-1-oxo-1-(phenethylamino)propan-2-yl]carbamate Traditional Name: N-(2-adamantyl)-N-[1-[(2-bromobenzofuran-3-yl)methyl]-2-keto-1-methyl-2-(phenethylamino)ethyl]carbamate Formula: C31H34BrN2O4- MolecularWeight: 578.51666

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C(OC2=CC=CC=C21)Br)(C(=O)NCCC3=CC=CC=C3)N(C4C5CC6CC(C5)CC4C6)C(=O)[O-]

Isomeric SMILES

CC(CC1=C(OC2=CC=CC=C21)Br)(C(=O)NCCC3=CC=CC=C3)N(C4C5CC6CC(C5)CC4C6)C(=O)[O-]

InChI

InChI=1S/C31H35BrN2O4/c1-31(29(35)33-12-11-19-7-3-2-4-8-19,18-25-24-9-5-6-10-26(24)38-28(25)32)34(30(36)37)27-22-14-20-13-21(16-22)17-23(27)15-20/h2-10,20-23,27H,11-18H2,1H3,(H,33,35)(H,36,37)/p-1